Geometry & MOs

Info

ID:	277399
PubChem CID:	103828270
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	-8.57
Dipole, Da:	5.17
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(thiolan-3-yl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations